Benzene and substituted derivatives
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Isopropyl Benzoate 99.0+%, TCI America™
CAS: 939-48-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00048289 InChI Key: FEXQDZTYJVXMOS-UHFFFAOYSA-N Synonym: Benzoic Acid Isopropyl Ester PubChem CID: 13654 IUPAC Name: propan-2-yl benzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1
| PubChem CID | 13654 |
|---|---|
| CAS | 939-48-0 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00048289 |
| SMILES | CC(C)OC(=O)C1=CC=CC=C1 |
| Synonym | Benzoic Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl benzoate |
| InChI Key | FEXQDZTYJVXMOS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
4,4'-(4,4'-Isopropylidenediphenoxy)diphthalic Anhydride 98.0+%, TCI America™
CAS: 38103-06-9 Molecular Formula: C31H20O8 Molecular Weight (g/mol): 520.49 MDL Number: MFCD00319167 InChI Key: MQAHXEQUBNDFGI-UHFFFAOYSA-N PubChem CID: 94483 IUPAC Name: 5-[4-(2-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}propan-2-yl)phenoxy]-1,3-dihydro-2-benzofuran-1,3-dione SMILES: CC(C)(C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1)C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1
| PubChem CID | 94483 |
|---|---|
| CAS | 38103-06-9 |
| Molecular Weight (g/mol) | 520.49 |
| MDL Number | MFCD00319167 |
| SMILES | CC(C)(C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1)C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1 |
| IUPAC Name | 5-[4-(2-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}propan-2-yl)phenoxy]-1,3-dihydro-2-benzofuran-1,3-dione |
| InChI Key | MQAHXEQUBNDFGI-UHFFFAOYSA-N |
| Molecular Formula | C31H20O8 |
2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane 98.0+%, TCI America™
CAS: 69563-88-8 Molecular Formula: C27H20F6N2O2 Molecular Weight (g/mol): 518.46 MDL Number: MFCD00015723 InChI Key: HHLMWQDRYZAENA-UHFFFAOYSA-N PubChem CID: 94652 IUPAC Name: 4-(4-{2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl}phenoxy)aniline SMILES: NC1=CC=C(OC2=CC=C(C=C2)C(C2=CC=C(OC3=CC=C(N)C=C3)C=C2)(C(F)(F)F)C(F)(F)F)C=C1
| PubChem CID | 94652 |
|---|---|
| CAS | 69563-88-8 |
| Molecular Weight (g/mol) | 518.46 |
| MDL Number | MFCD00015723 |
| SMILES | NC1=CC=C(OC2=CC=C(C=C2)C(C2=CC=C(OC3=CC=C(N)C=C3)C=C2)(C(F)(F)F)C(F)(F)F)C=C1 |
| IUPAC Name | 4-(4-{2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl}phenoxy)aniline |
| InChI Key | HHLMWQDRYZAENA-UHFFFAOYSA-N |
| Molecular Formula | C27H20F6N2O2 |
2,3,5,6-Tetrafluorobenzaldehyde 94.0+%, TCI America™
CAS: 19842-76-3 Molecular Formula: C7H2F4O Molecular Weight (g/mol): 178.086 MDL Number: MFCD00167387 InChI Key: YIRYOMXPMOLQSO-UHFFFAOYSA-N Synonym: benzaldehyde,2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoro-benzaldehyde,pubchem10080,1,2,4,5-tetrafluorobenzaldehyde,2,3,5,6-tetrafluorobenzaldehyde,benzaldehyde, 2,3,5,6-tetrafluoro,2,3,5,6-tetrakis fluoranyl benzaldehyde PubChem CID: 601331 IUPAC Name: 2,3,5,6-tetrafluorobenzaldehyde SMILES: C1=C(C(=C(C(=C1F)F)C=O)F)F
| PubChem CID | 601331 |
|---|---|
| CAS | 19842-76-3 |
| Molecular Weight (g/mol) | 178.086 |
| MDL Number | MFCD00167387 |
| SMILES | C1=C(C(=C(C(=C1F)F)C=O)F)F |
| Synonym | benzaldehyde,2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoro-benzaldehyde,pubchem10080,1,2,4,5-tetrafluorobenzaldehyde,2,3,5,6-tetrafluorobenzaldehyde,benzaldehyde, 2,3,5,6-tetrafluoro,2,3,5,6-tetrakis fluoranyl benzaldehyde |
| IUPAC Name | 2,3,5,6-tetrafluorobenzaldehyde |
| InChI Key | YIRYOMXPMOLQSO-UHFFFAOYSA-N |
| Molecular Formula | C7H2F4O |
2,4,6-Trimethylbenzoic Acid 98.0+%, TCI America™
CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1
| PubChem CID | 10194 |
|---|---|
| CAS | 480-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:64830 |
| MDL Number | MFCD00002481 |
| SMILES | CC1=CC(C)=C(C(O)=O)C(C)=C1 |
| Synonym | mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl |
| IUPAC Name | 2,4,6-trimethylbenzoic acid |
| InChI Key | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Leflunomide 98.0+%, TCI America™
CAS: 75706-12-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00867593 InChI Key: VHOGYURTWQBHIL-UHFFFAOYSA-N Synonym: leflunomide,arava,leflunomidum,lefunamide,leflunomida,leflunomidum inn-latin,5-methyl-n-4-trifluoromethyl phenyl-1,2-oxazole-4-carboxamide,leflunomida inn-spanish,su 101 pharmaceutical,arava tn PubChem CID: 3899 ChEBI: CHEBI:6402 IUPAC Name: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide SMILES: CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
| PubChem CID | 3899 |
|---|---|
| CAS | 75706-12-6 |
| Molecular Weight (g/mol) | 270.211 |
| ChEBI | CHEBI:6402 |
| MDL Number | MFCD00867593 |
| SMILES | CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F |
| Synonym | leflunomide,arava,leflunomidum,lefunamide,leflunomida,leflunomidum inn-latin,5-methyl-n-4-trifluoromethyl phenyl-1,2-oxazole-4-carboxamide,leflunomida inn-spanish,su 101 pharmaceutical,arava tn |
| IUPAC Name | 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide |
| InChI Key | VHOGYURTWQBHIL-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |
2-Bromo-3-methylbenzoic Acid 98.0+%, TCI America™
CAS: 53663-39-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00079721 InChI Key: LSRTWJCYIWGKCQ-UHFFFAOYSA-N Synonym: 2-bromo-3-methyl-benzoic acid,2-bromo-m-toluic acid,2-bromo-3-carboxytoluene,2-bromo-3-methylbenzoicacid,3-methyl-2-bromobenzoic acid,benzoic acid, bromo-3-methyl,2-brom-3-methylbenzoic acid,pubchem3805,acmc-1ay3t,ksc497o4r PubChem CID: 2735588 IUPAC Name: 2-bromo-3-methylbenzoic acid SMILES: CC1=CC=CC(=C1Br)C(=O)O
| PubChem CID | 2735588 |
|---|---|
| CAS | 53663-39-1 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00079721 |
| SMILES | CC1=CC=CC(=C1Br)C(=O)O |
| Synonym | 2-bromo-3-methyl-benzoic acid,2-bromo-m-toluic acid,2-bromo-3-carboxytoluene,2-bromo-3-methylbenzoicacid,3-methyl-2-bromobenzoic acid,benzoic acid, bromo-3-methyl,2-brom-3-methylbenzoic acid,pubchem3805,acmc-1ay3t,ksc497o4r |
| IUPAC Name | 2-bromo-3-methylbenzoic acid |
| InChI Key | LSRTWJCYIWGKCQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
2,3,4-Trifluorobenzoyl Chloride 98.0+%, TCI America™
CAS: 157373-08-5 Molecular Formula: C7H2ClF3O Molecular Weight (g/mol): 194.537 MDL Number: MFCD00075078 InChI Key: NXRQXCFBZGIRGN-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenzoylchloride,2,3,4-trifluoro-benzoyl chloride,benzoyl chloride, 2,3,4-trifluoro,benzoyl chloride, 2,3,4-trifluoro-9ci,trifluorobenzoylchloride,trifluorobenzoyl chloride,intermediates-zcf02190,acmc-209dg2,2,3,4-trifluorobenzoyl chloride PubChem CID: 2734022 IUPAC Name: 2,3,4-trifluorobenzoyl chloride SMILES: C1=CC(=C(C(=C1C(=O)Cl)F)F)F
| PubChem CID | 2734022 |
|---|---|
| CAS | 157373-08-5 |
| Molecular Weight (g/mol) | 194.537 |
| MDL Number | MFCD00075078 |
| SMILES | C1=CC(=C(C(=C1C(=O)Cl)F)F)F |
| Synonym | 2,3,4-trifluorobenzoylchloride,2,3,4-trifluoro-benzoyl chloride,benzoyl chloride, 2,3,4-trifluoro,benzoyl chloride, 2,3,4-trifluoro-9ci,trifluorobenzoylchloride,trifluorobenzoyl chloride,intermediates-zcf02190,acmc-209dg2,2,3,4-trifluorobenzoyl chloride |
| IUPAC Name | 2,3,4-trifluorobenzoyl chloride |
| InChI Key | NXRQXCFBZGIRGN-UHFFFAOYSA-N |
| Molecular Formula | C7H2ClF3O |
4-Bromobenzamide 98.0+%, TCI America™
CAS: 698-67-9 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00007991 InChI Key: ZRWNRAJCPNLYAK-UHFFFAOYSA-N Synonym: p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide PubChem CID: 69683 IUPAC Name: 4-bromobenzamide SMILES: C1=CC(=CC=C1C(=O)N)Br
| PubChem CID | 69683 |
|---|---|
| CAS | 698-67-9 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00007991 |
| SMILES | C1=CC(=CC=C1C(=O)N)Br |
| Synonym | p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide |
| IUPAC Name | 4-bromobenzamide |
| InChI Key | ZRWNRAJCPNLYAK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
4-Bromobenzoyl Chloride 98.0+%, TCI America™
CAS: 586-75-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD00000683 InChI Key: DENKGPBHLYFNGK-UHFFFAOYSA-N Synonym: p-bromobenzoyl chloride,benzoyl chloride, 4-bromo,benzoyl chloride, p-bromo,4-bromobenzoylchloride,p-bromobenzoyl chloride, p-bromo,4-bromobenzoic acid chloride,p-brombenzoylchlorid,4bromobenzoyl chloride,p-brc6h4cocl,4-bromo-benzoylchloride PubChem CID: 68515 IUPAC Name: 4-bromobenzoyl chloride SMILES: ClC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 68515 |
|---|---|
| CAS | 586-75-4 |
| Molecular Weight (g/mol) | 219.46 |
| MDL Number | MFCD00000683 |
| SMILES | ClC(=O)C1=CC=C(Br)C=C1 |
| Synonym | p-bromobenzoyl chloride,benzoyl chloride, 4-bromo,benzoyl chloride, p-bromo,4-bromobenzoylchloride,p-bromobenzoyl chloride, p-bromo,4-bromobenzoic acid chloride,p-brombenzoylchlorid,4bromobenzoyl chloride,p-brc6h4cocl,4-bromo-benzoylchloride |
| IUPAC Name | 4-bromobenzoyl chloride |
| InChI Key | DENKGPBHLYFNGK-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
2,4,6-Trichlorobenzoic Acid 98.0+%, TCI America™
CAS: 50-43-1 Molecular Formula: C7H3Cl3O2 Molecular Weight (g/mol): 225.449 MDL Number: MFCD00060699 InChI Key: RAFFVQBMVYYTQS-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f PubChem CID: 5764 IUPAC Name: 2,4,6-trichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl
| PubChem CID | 5764 |
|---|---|
| CAS | 50-43-1 |
| Molecular Weight (g/mol) | 225.449 |
| MDL Number | MFCD00060699 |
| SMILES | C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl |
| Synonym | benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f |
| IUPAC Name | 2,4,6-trichlorobenzoic acid |
| InChI Key | RAFFVQBMVYYTQS-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O2 |
4-Methoxyphenylhydrazine Hydrochloride 98.0+%, TCI America™
CAS: 19501-58-7 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 MDL Number: MFCD00012945 InChI Key: FQHCPFMTXFJZJS-UHFFFAOYSA-N Synonym: 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride PubChem CID: 2723904 IUPAC Name: (4-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=C(C=C1)NN.Cl
| PubChem CID | 2723904 |
|---|---|
| CAS | 19501-58-7 |
| Molecular Weight (g/mol) | 174.628 |
| MDL Number | MFCD00012945 |
| SMILES | COC1=CC=C(C=C1)NN.Cl |
| Synonym | 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride |
| IUPAC Name | (4-methoxyphenyl)hydrazine;hydrochloride |
| InChI Key | FQHCPFMTXFJZJS-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O |
2,4-Diaminoanisole Dihydrochloride 99.0+%, TCI America™
CAS: 614-94-8 Molecular Formula: C7H12Cl2N2O Molecular Weight (g/mol): 211.086 MDL Number: MFCD00054337 InChI Key: FNGHHDCBSVSOOI-UHFFFAOYSA-N Synonym: 4-Methoxy-1,3-phenylenediamine Dihydrochloride PubChem CID: 11975 IUPAC Name: 4-methoxybenzene-1,3-diamine;dihydrochloride SMILES: COC1=C(C=C(C=C1)N)N.Cl.Cl
| PubChem CID | 11975 |
|---|---|
| CAS | 614-94-8 |
| Molecular Weight (g/mol) | 211.086 |
| MDL Number | MFCD00054337 |
| SMILES | COC1=C(C=C(C=C1)N)N.Cl.Cl |
| Synonym | 4-Methoxy-1,3-phenylenediamine Dihydrochloride |
| IUPAC Name | 4-methoxybenzene-1,3-diamine;dihydrochloride |
| InChI Key | FNGHHDCBSVSOOI-UHFFFAOYSA-N |
| Molecular Formula | C7H12Cl2N2O |
2-Bromo-6-chloro-4-nitroaniline 98.0+%, TCI America™
CAS: 99-29-6 Molecular Formula: C6H4BrClN2O2 Molecular Weight (g/mol): 251.464 MDL Number: MFCD00014770 InChI Key: GLUCALKKMFBJEB-UHFFFAOYSA-N Synonym: 2-chloro-4-nitro-6-bromoaniline,benzenamine, 2-bromo-6-chloro-4-nitro,6-bromo-2-chloro-4-nitroaniline,6-bromo-2-chloro-4-nitrophenylamine,2-bromo-4-nitro-6-chloroaniline,aniline, 2-bromo-6-chloro-4-nitro,2-bromo-6-chloro-4-nitro-benzenamin,2-bromo-6-chloro-4-nitro-phenylamine,pubchem2333,acmc-209sc7 PubChem CID: 66832 IUPAC Name: 2-bromo-6-chloro-4-nitroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Br)[N+](=O)[O-]
| PubChem CID | 66832 |
|---|---|
| CAS | 99-29-6 |
| Molecular Weight (g/mol) | 251.464 |
| MDL Number | MFCD00014770 |
| SMILES | C1=C(C=C(C(=C1Cl)N)Br)[N+](=O)[O-] |
| Synonym | 2-chloro-4-nitro-6-bromoaniline,benzenamine, 2-bromo-6-chloro-4-nitro,6-bromo-2-chloro-4-nitroaniline,6-bromo-2-chloro-4-nitrophenylamine,2-bromo-4-nitro-6-chloroaniline,aniline, 2-bromo-6-chloro-4-nitro,2-bromo-6-chloro-4-nitro-benzenamin,2-bromo-6-chloro-4-nitro-phenylamine,pubchem2333,acmc-209sc7 |
| IUPAC Name | 2-bromo-6-chloro-4-nitroaniline |
| InChI Key | GLUCALKKMFBJEB-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrClN2O2 |